methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate

C21H18N2O2 — CID 163675552

IUPACmethyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C)cc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O2/c1-15-13-18(20(22-14-15)21(24)25-2)23-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKeyLNROUNZCNJFANM-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.35
Rot. Bonds4

About methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate

methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate (PubChem CID 163675552) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate
PubChem CID163675552
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Namemethyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C)cc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2O2/c1-15-13-18(20(22-14-15)21(24)25-2)23-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKeyLNROUNZCNJFANM-UHFFFAOYSA-N
XLogP4.35
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 135392315
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
1-[5-(benzhydrylideneamino)-1,2-dimethylpyrrolo[2,3-b]pyridin-6-yl]ethanone
CID 171819875
methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
CID 175789553
methyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyridine-2-carboxylate
CID 175067958
methyl 2-(benzhydrylideneamino)-3-methylcyclobutene-1-carboxylate
CID 14958492
ethane;methoxymethane;methyl benzoate
CID 90999424
methyl 1-[N-(2,3-dimethylphenyl)-C-phenylcarbonimidoyl]-5-methylpyrazole-3-carboxylate
CID 12883491
methyl 2-[2-(benzhydrylideneamino)-6-methyl-4-pyridinyl]-1,3-oxazole-4-carboxylate
CID 88958839
methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
CID 170838684

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate (CID 163675552) is methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate is COC(=O)c1ncc(C)cc1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate?
The InChIKey is LNROUNZCNJFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15-13-18(20(22-14-15)21(24)25-2)23-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3.
What are the key properties of methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate?
methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 163675552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).